U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on EuLuCuS3 by Materials Project
Abstract
LuEuCuS3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu3+ is bonded to six S2- atoms to form LuS6 octahedra that share corners with two equivalent LuS6 octahedra, edges with two equivalent LuS6 octahedra, and edges with four equivalent CuS4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are two shorter (2.68 Å) and four longer (2.70 Å) Lu–S bond lengths. Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 2.92–3.43 Å. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with two equivalent CuS4 tetrahedra and edges with four equivalent LuS6 octahedra. There are two shorter (2.31 Å) and two longer (2.37 Å) Cu–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Lu3+, three equivalent Eu2+, and one Cu1+ atom. In the second S2- site, S2- is bonded to two equivalent Lu3+, two equivalent Eu2+, and two equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing SEu2Lu2Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1212752
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Cu-Eu-Lu-S; EuLuCuS3
- OSTI Identifier:
- 1673018
- DOI:
- https://doi.org/10.17188/1673018
Citation Formats
Materials Data on EuLuCuS3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1673018.
Materials Data on EuLuCuS3 by Materials Project. United States. doi:https://doi.org/10.17188/1673018
2020.
"Materials Data on EuLuCuS3 by Materials Project". United States. doi:https://doi.org/10.17188/1673018. https://www.osti.gov/servlets/purl/1673018. Pub date:Sat May 02 20:00:00 EDT 2020
@article{osti_1673018,
title = {Materials Data on EuLuCuS3 by Materials Project},
abstractNote = {LuEuCuS3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu3+ is bonded to six S2- atoms to form LuS6 octahedra that share corners with two equivalent LuS6 octahedra, edges with two equivalent LuS6 octahedra, and edges with four equivalent CuS4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are two shorter (2.68 Å) and four longer (2.70 Å) Lu–S bond lengths. Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 2.92–3.43 Å. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with two equivalent CuS4 tetrahedra and edges with four equivalent LuS6 octahedra. There are two shorter (2.31 Å) and two longer (2.37 Å) Cu–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Lu3+, three equivalent Eu2+, and one Cu1+ atom. In the second S2- site, S2- is bonded to two equivalent Lu3+, two equivalent Eu2+, and two equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing SEu2Lu2Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1673018},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}